General Information of the Compound
| Compound ID |
CP0571612
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| Compound Name |
1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(3-methylimidazo[4,5-b]pyridin-7-yl)urea
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| Structure |
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| Formula |
C22H28N6O2
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| Molecular Weight |
408.506
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| Canonical SMILES |
Cn1cnc2c(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)ccnc12
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| InChI |
InChI=1S/C22H28N6O2/c1-27-16-25-19-18(7-10-23-20(19)27)26-21(29)24-11-14-28-12-8-22(30,9-13-28)15-17-5-3-2-4-6-17/h2-7,10,16,30H,8-9,11-15H2,1H3,(H2,23,24,26,29)
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| InChIKey |
MBCIMJULLINMDG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound